HRID136200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID7237

o-Xylene

C8H10

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：O=C1Nc2cccnc2N(C(=O)CCN2CCNCC2)c2ccccc21

HCID20329383

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2cccnc2N(C(=O)CCN2CCN(Cc3ccccc3)CC2)c2ccccc21

HCID3053204

6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-3-(4-(phenylmethyl)-1-piperazinyl)propyl)-

C26H27N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bead6f8a04684f0abfff14814b37cc33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[Br:40].[CH3:49][CH2:50][OH:51].[N:1]1([CH2:7][CH2:8][C:9](=[O:10])[N:11]2[c:12]3[c:13]([cH:23][cH:24][cH:25][n:26]3)[NH:14][C:15](=[O:22])[c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[c:41]1([CH3:42])[c:43]([CH3:44])[cH:45][cH:46][cH:47][cH:48]1>>[N:1]1([CH2:7][CH2:8][C:9](=[O:10])[N:11]2[c:12]3[c:13]([cH:23][cH:24][cH:25][n:26]3)[NH:14][C:15](=[O:22])[c:16]3[c:17]2[cH:18][cH:19][cH:20][cH:21]3)[CH2:2][CH2:3][N:4]([CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:5][CH2:6]1